2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol

C16H15NO3 — CID 10612032

IUPAC2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol
SMILESCOc1ccc(C2=NOC(c3ccccc3O)C2)cc1
InChIInChI=1S/C16H15NO3/c1-19-12-8-6-11(7-9-12)14-10-16(20-17-14)13-4-2-3-5-15(13)18/h2-9,16,18H,10H2,1H3
InChIKeyAWGFDVWFUVBIFL-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.27
Rot. Bonds3

About 2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol

2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol (PubChem CID 10612032) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol
PubChem CID10612032
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol
SMILESCOc1ccc(C2=NOC(c3ccccc3O)C2)cc1
InChIInChI=1S/C16H15NO3/c1-19-12-8-6-11(7-9-12)14-10-16(20-17-14)13-4-2-3-5-15(13)18/h2-9,16,18H,10H2,1H3
InChIKeyAWGFDVWFUVBIFL-UHFFFAOYSA-N
XLogP3.27
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 21065040
5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole
CID 10414821
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11310285
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11041952
(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 1096397
(5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562209
2-[3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]benzoic acid
CID 3254809
(2-chlorophenyl)-[(3S)-3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 40554560
(1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668477
2-[(3R)-3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]benzoate
CID 7741724
(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol?
The IUPAC name of 2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol (CID 10612032) is 2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol is COc1ccc(C2=NOC(c3ccccc3O)C2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol?
The InChIKey is AWGFDVWFUVBIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-12-8-6-11(7-9-12)14-10-16(20-17-14)13-4-2-3-5-15(13)18/h2-9,16,18H,10H2,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol?
2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol has a molecular weight of 269.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 10612032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).